Geometry & MOs

Info

ID:

164630

PubChem CID:

74428528

Reduced:

O15N16C41H74 (1)

Stoich.:

A15B16C41D74 (1)

Weight, g/mol:

1355.522763

ΔHf, kcal/mol:

-733.16

Dipole, Da:

13.96

IP(EA), eV:

 -9.48(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[[2-[[2-[[2-acetamido-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N)O

DOS

IR

Vibrations